2-{[2-ethoxy-4-({3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]methyl}benzonitrile
Chemical Structure Depiction of
2-{[2-ethoxy-4-({3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]methyl}benzonitrile
2-{[2-ethoxy-4-({3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | 4032-1132 |
| Compound Name: | 2-{[2-ethoxy-4-({3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]methyl}benzonitrile |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H21 F N2 O4 S |
| Smiles: | CCOc1cc(/C=C2/C(N(Cc3ccc(cc3)F)C(=O)S2)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.1625 |
| logD: | 5.1625 |
| logSw: | -4.9163 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.176 |
| InChI Key: | QVYJYDHIEKEAKW-UHFFFAOYSA-N |